8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine

C14H13BrN6 — CID 95293108

IUPAC8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
SMILESBrc1cccc2c(N[C@H]3CCc4ncnn4C3)ncnc12
InChIInChI=1S/C14H13BrN6/c15-11-3-1-2-10-13(11)17-7-18-14(10)20-9-4-5-12-16-8-19-21(12)6-9/h1-3,7-9H,4-6H2,(H,17,18,20)/t9-/m0/s1
InChIKeyNQBBWTFVDTVASN-VIFPVBQESA-N
MW345.20 g/mol
LogP2.41
Rot. Bonds2

About 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine

8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine (PubChem CID 95293108) has the molecular formula C14H13BrN6 and a molecular weight of 345.20 g/mol. Its IUPAC name is 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
PubChem CID95293108
Molecular FormulaC14H13BrN6
Molecular Weight345.20 g/mol
Exact Mass344.04
IUPAC Name8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
SMILESBrc1cccc2c(N[C@H]3CCc4ncnn4C3)ncnc12
InChIInChI=1S/C14H13BrN6/c15-11-3-1-2-10-13(11)17-7-18-14(10)20-9-4-5-12-16-8-19-21(12)6-9/h1-3,7-9H,4-6H2,(H,17,18,20)/t9-/m0/s1
InChIKeyNQBBWTFVDTVASN-VIFPVBQESA-N
XLogP2.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[3,2-d]pyrimidin-4-amine
CID 133281560
N-[6-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281569
methyl 2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86964265
N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 167992772
4-bromo-2-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyridazin-3-one
CID 86942836
N-(6-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281563
2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95291973
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
N-(3-methyl-5-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281537
N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133443339
8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine
CID 95160600

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine?
The IUPAC name of 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine (CID 95293108) is 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine is Brc1cccc2c(N[C@H]3CCc4ncnn4C3)ncnc12.
What is the InChIKey of 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine?
The InChIKey is NQBBWTFVDTVASN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13BrN6/c15-11-3-1-2-10-13(11)17-7-18-14(10)20-9-4-5-12-16-8-19-21(12)6-9/h1-3,7-9H,4-6H2,(H,17,18,20)/t9-/m0/s1.
What are the key properties of 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine?
8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine has a molecular weight of 345.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine is sourced from PubChem (CID 95293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).