1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine

C10H17N7 — CID 66018322

IUPAC1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ncn[nH]2)c1N
InChIInChI=1S/C10H17N7/c1-3-4-7-9(11)10(17(2)16-7)12-5-8-13-6-14-15-8/h6,12H,3-5,11H2,1-2H3,(H,13,14,15)
InChIKeyZWDAWNHLIDNNLL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds5

About 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66018322) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine
PubChem CID66018322
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ncn[nH]2)c1N
InChIInChI=1S/C10H17N7/c1-3-4-7-9(11)10(17(2)16-7)12-5-8-13-6-14-15-8/h6,12H,3-5,11H2,1-2H3,(H,13,14,15)
InChIKeyZWDAWNHLIDNNLL-UHFFFAOYSA-N
XLogP0.69
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 66019219
1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66017523
1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66017910
5-N-[(5-chlorothiophen-2-yl)methyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66020060
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66123952
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66017722
5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019278
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251184
5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66017736

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine (CID 66018322) is 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine is CCCc1nn(C)c(NCc2ncn[nH]2)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is ZWDAWNHLIDNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-4-7-9(11)10(17(2)16-7)12-5-8-13-6-14-15-8/h6,12H,3-5,11H2,1-2H3,(H,13,14,15).
What are the key properties of 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 235.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).