ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H25N7 — CID 145177419

IUPACethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC.CC.CN.Nc1nc2cccc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C9H8N6.2C2H6.CH5N/c10-9-13-8-3-1-2-7(15(8)14-9)6-4-11-12-5-6;3*1-2/h1-5H,(H2,10,14)(H,11,12);2*1-2H3;2H2,1H3
InChIKeySCVBPBZZZFBGFK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.33
Rot. Bonds1

About ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 145177419) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Nameethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID145177419
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Nameethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC.CC.CN.Nc1nc2cccc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C9H8N6.2C2H6.CH5N/c10-9-13-8-3-1-2-7(15(8)14-9)6-4-11-12-5-6;3*1-2/h1-5H,(H2,10,14)(H,11,12);2*1-2H3;2H2,1H3
InChIKeySCVBPBZZZFBGFK-UHFFFAOYSA-N
XLogP2.33
TPSA110.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 145177419) is ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC.CC.CN.Nc1nc2cccc(-c3cn[nH]c3)n2n1.
What is the InChIKey of ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SCVBPBZZZFBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6.2C2H6.CH5N/c10-9-13-8-3-1-2-7(15(8)14-9)6-4-11-12-5-6;3*1-2/h1-5H,(H2,10,14)(H,11,12);2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 145177419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).