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

C10H20N4 — CID 61339101

IUPAC2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-5-7(4)8(11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyMLOFCLNNUVYJQN-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.97
Rot. Bonds4

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

2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine (PubChem CID 61339101) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
PubChem CID61339101
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-5-7(4)8(11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14)
InChIKeyMLOFCLNNUVYJQN-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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Related Compounds

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CID 47002730
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CID 61336968
CID 61336968
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CID 71758195
CID 112756643
CID 112756643
CID 53964183
CID 53964183
CID 61319568
CID 61319568
CID 71757605
CID 71757605
CID 71757606
CID 71757606
CID 86775457
CID 86775457
CID 91662957
CID 91662957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine (CID 61339101) is 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine is CCC(C)C(N)c1nc(C(C)C)n[nH]1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The InChIKey is MLOFCLNNUVYJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-7(4)8(11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3,(H,12,13,14).
What are the key properties of 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine?
2-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 2-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine is sourced from PubChem (CID 61339101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).