1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

C10H16N6 — CID 62721417

IUPAC1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCCCc1nc(Cn2cc(N)cn2)n(C)n1
InChIInChI=1S/C10H16N6/c1-3-4-9-13-10(15(2)14-9)7-16-6-8(11)5-12-16/h5-6H,3-4,7,11H2,1-2H3
InChIKeyDOANUUAVSUSBSQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.59
Rot. Bonds4

About 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 62721417) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
PubChem CID62721417
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCCCc1nc(Cn2cc(N)cn2)n(C)n1
InChIInChI=1S/C10H16N6/c1-3-4-9-13-10(15(2)14-9)7-16-6-8(11)5-12-16/h5-6H,3-4,7,11H2,1-2H3
InChIKeyDOANUUAVSUSBSQ-UHFFFAOYSA-N
XLogP0.59
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (CID 62721417) is 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is CCCc1nc(Cn2cc(N)cn2)n(C)n1.
What is the InChIKey of 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is DOANUUAVSUSBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-4-9-13-10(15(2)14-9)7-16-6-8(11)5-12-16/h5-6H,3-4,7,11H2,1-2H3.
What are the key properties of 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62721417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).