1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine

C13H22N6 — CID 79542077

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(CC)nn1CC
InChIInChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3
InChIKeyNVERHTSONLSVPK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds6

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79542077) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79542077
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(CC)nn1CC
InChIInChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3
InChIKeyNVERHTSONLSVPK-UHFFFAOYSA-N
XLogP1.64
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79543356
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542569
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methyltriazol-4-amine
CID 79542426
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542639
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
1-(2,2-difluoroethyl)-5-propyltriazol-4-amine
CID 79542477

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine (CID 79542077) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1cc(CC)nn1CC.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is NVERHTSONLSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-7-12-13(14)15-17-19(12)9-11-8-10(5-2)16-18(11)6-3/h8H,4-7,9,14H2,1-3H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine?
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79542077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).