1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H17N9 — CID 56916981

IUPAC1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(C(C)Nc2nc(-c3ccccn3)nc3c2cnn3C)n[nH]1
InChIInChI=1S/C16H17N9/c1-9(13-20-10(2)23-24-13)19-14-11-8-18-25(3)16(11)22-15(21-14)12-6-4-5-7-17-12/h4-9H,1-3H3,(H,19,21,22)(H,20,23,24)
InChIKeyKXAYJKTTYYRYLU-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.02
Rot. Bonds4

About 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56916981) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56916981
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(C(C)Nc2nc(-c3ccccn3)nc3c2cnn3C)n[nH]1
InChIInChI=1S/C16H17N9/c1-9(13-20-10(2)23-24-13)19-14-11-8-18-25(3)16(11)22-15(21-14)12-6-4-5-7-17-12/h4-9H,1-3H3,(H,19,21,22)(H,20,23,24)
InChIKeyKXAYJKTTYYRYLU-UHFFFAOYSA-N
XLogP2.02
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95729684
1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70712455
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95723480
1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95726742
1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861358
5-[[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
CID 156555028
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95718925
N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95896253
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891564
1,3-dimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861426
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134587658

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56916981) is 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(C(C)Nc2nc(-c3ccccn3)nc3c2cnn3C)n[nH]1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KXAYJKTTYYRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-9(13-20-10(2)23-24-13)19-14-11-8-18-25(3)16(11)22-15(21-14)12-6-4-5-7-17-12/h4-9H,1-3H3,(H,19,21,22)(H,20,23,24).
What are the key properties of 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 335.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56916981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).