1-N-methylpyrazole-1,4,5-triamine

C4H9N5 — CID 69238972

IUPAC1-N-methylpyrazole-1,4,5-triamine
SMILESCNn1ncc(N)c1N
InChIInChI=1S/C4H9N5/c1-7-9-4(6)3(5)2-8-9/h2,7H,5-6H2,1H3
InChIKeyQLHSJBUCDURMRF-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.78
Rot. Bonds1

About 1-N-methylpyrazole-1,4,5-triamine

1-N-methylpyrazole-1,4,5-triamine (PubChem CID 69238972) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-N-methylpyrazole-1,4,5-triamine.

Molecular Properties

Compound Name1-N-methylpyrazole-1,4,5-triamine
PubChem CID69238972
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-N-methylpyrazole-1,4,5-triamine
SMILESCNn1ncc(N)c1N
InChIInChI=1S/C4H9N5/c1-7-9-4(6)3(5)2-8-9/h2,7H,5-6H2,1H3
InChIKeyQLHSJBUCDURMRF-UHFFFAOYSA-N
XLogP-0.78
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-prop-2-enylpyrazole-4,5-diamine
CID 67655592
N-methylindazol-1-amine
CID 15129846
3-(4,5-diaminopyrazol-1-yl)-3-methylbutan-2-ol
CID 58980370
1-(1-aminobutyl)pyrazole-4,5-diamine
CID 69439653
4-amino-N,1-dimethylpyrazole-5-sulfonamide
CID 122673408
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
4-amino-N-methyl-1-propylpyrazole-5-carboxamide
CID 132586626
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528

Frequently Asked Questions

What is the IUPAC name of 1-N-methylpyrazole-1,4,5-triamine?
The IUPAC name of 1-N-methylpyrazole-1,4,5-triamine (CID 69238972) is 1-N-methylpyrazole-1,4,5-triamine.
What is the SMILES notation for 1-N-methylpyrazole-1,4,5-triamine?
The canonical SMILES for 1-N-methylpyrazole-1,4,5-triamine is CNn1ncc(N)c1N.
What is the InChIKey of 1-N-methylpyrazole-1,4,5-triamine?
The InChIKey is QLHSJBUCDURMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-7-9-4(6)3(5)2-8-9/h2,7H,5-6H2,1H3.
What are the key properties of 1-N-methylpyrazole-1,4,5-triamine?
1-N-methylpyrazole-1,4,5-triamine has a molecular weight of 127.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylpyrazole-1,4,5-triamine is sourced from PubChem (CID 69238972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).