7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C9H13N7 — CID 136847659

IUPAC7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCn1nccc1C1CCNc2nc(N)nn21
InChIInChI=1S/C9H13N7/c1-15-6(3-5-12-15)7-2-4-11-9-13-8(10)14-16(7)9/h3,5,7H,2,4H2,1H3,(H3,10,11,13,14)
InChIKeyKVNGOCZFEQRVFS-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.00
Rot. Bonds1

About 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136847659) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID136847659
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCn1nccc1C1CCNc2nc(N)nn21
InChIInChI=1S/C9H13N7/c1-15-6(3-5-12-15)7-2-4-11-9-13-8(10)14-16(7)9/h3,5,7H,2,4H2,1H3,(H3,10,11,13,14)
InChIKeyKVNGOCZFEQRVFS-UHFFFAOYSA-N
XLogP-0.00
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

7-(2-methylpyrazol-3-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136847658
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
7-(4-propylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840232
4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
CID 136847602
2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847640
2-(2,2-dimethylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847670
ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136847620
[7-(3-amino-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837737
(5R,7S)-5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135682867
5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
CID 114554261
2-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanamine
CID 136837599
2-(trifluoromethyl)-7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709293

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 136847659) is 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cn1nccc1C1CCNc2nc(N)nn21.
What is the InChIKey of 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is KVNGOCZFEQRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-15-6(3-5-12-15)7-2-4-11-9-13-8(10)14-16(7)9/h3,5,7H,2,4H2,1H3,(H3,10,11,13,14).
What are the key properties of 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 219.25 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136847659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).