1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C13H17N7 — CID 60978758

IUPAC1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1cc2ncc(C(C)NCc3ncn[nH]3)c(C)n2n1
InChIInChI=1S/C13H17N7/c1-8-4-13-15-5-11(10(3)20(13)19-8)9(2)14-6-12-16-7-17-18-12/h4-5,7,9,14H,6H2,1-3H3,(H,16,17,18)
InChIKeyTXJVVJSTHUKOTP-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.32
Rot. Bonds4

About 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 60978758) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID60978758
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1cc2ncc(C(C)NCc3ncn[nH]3)c(C)n2n1
InChIInChI=1S/C13H17N7/c1-8-4-13-15-5-11(10(3)20(13)19-8)9(2)14-6-12-16-7-17-18-12/h4-5,7,9,14H,6H2,1-3H3,(H,16,17,18)
InChIKeyTXJVVJSTHUKOTP-UHFFFAOYSA-N
XLogP1.32
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43201499
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63291941
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
CID 115888575
(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 103922377
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
CID 43205172
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 65196877
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
CID 66169884
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
CID 82707253
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide
CID 43310816
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine
CID 91646886
methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
CID 43322248
[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
CID 97107840

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 60978758) is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is Cc1cc2ncc(C(C)NCc3ncn[nH]3)c(C)n2n1.
What is the InChIKey of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is TXJVVJSTHUKOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-8-4-13-15-5-11(10(3)20(13)19-8)9(2)14-6-12-16-7-17-18-12/h4-5,7,9,14H,6H2,1-3H3,(H,16,17,18).
What are the key properties of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 60978758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).