N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H17N7 — CID 95321392

IUPACN-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nnc2n1C[C@H](CNc1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C14H17N7/c1-9-19-20-12-3-2-10(7-21(9)12)6-16-14-11-4-5-15-13(11)17-8-18-14/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyNOPUIKBOJGICHA-JTQLQIEISA-N
MW283.34 g/mol
LogP1.53
Rot. Bonds3

About N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 95321392) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID95321392
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nnc2n1C[C@H](CNc1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C14H17N7/c1-9-19-20-12-3-2-10(7-21(9)12)6-16-14-11-4-5-15-13(11)17-8-18-14/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyNOPUIKBOJGICHA-JTQLQIEISA-N
XLogP1.53
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 122564166
N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764258
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257
N-methyl-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95732943
N-[[(6R)-1,4-oxazepan-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 95729379
N-(1-benzothiophen-3-ylmethyl)-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95607549
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
N-(2-fluorocyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126857850
N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282872
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-[[(3R,4R)-1-butylsulfonyl-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 142782028
2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl N-methylcarbamate
CID 164941122

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 95321392) is N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nnc2n1C[C@H](CNc1ncnc3[nH]ccc13)CC2.
What is the InChIKey of N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NOPUIKBOJGICHA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N7/c1-9-19-20-12-3-2-10(7-21(9)12)6-16-14-11-4-5-15-13(11)17-8-18-14/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,16,17,18)/t10-/m0/s1.
What are the key properties of N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 283.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95321392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).