3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine

C10H20N4 — CID 61336967

IUPAC3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyCMGBUUUXCMKWDT-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine

3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine (PubChem CID 61336967) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
PubChem CID61336967
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyCMGBUUUXCMKWDT-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine (CID 61336967) is 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine is CC(C)CC(N)c1nc(C(C)C)n[nH]1.
What is the InChIKey of 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The InChIKey is CMGBUUUXCMKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14).
What are the key properties of 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine is sourced from PubChem (CID 61336967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).