(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine

C11H22N4 — CID 104900421

IUPAC(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCn1c(C)nnc1[C@@H](N)C(C)CC
InChIInChI=1S/C11H22N4/c1-5-7-15-9(4)13-14-11(15)10(12)8(3)6-2/h8,10H,5-7,12H2,1-4H3/t8?,10-/m0/s1
InChIKeyCRRQVEIIAQDVOT-HTLJXXAVSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds5

About (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine

(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 104900421) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID104900421
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCn1c(C)nnc1[C@@H](N)C(C)CC
InChIInChI=1S/C11H22N4/c1-5-7-15-9(4)13-14-11(15)10(12)8(3)6-2/h8,10H,5-7,12H2,1-4H3/t8?,10-/m0/s1
InChIKeyCRRQVEIIAQDVOT-HTLJXXAVSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine (CID 104900421) is (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine is CCCn1c(C)nnc1[C@@H](N)C(C)CC.
What is the InChIKey of (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is CRRQVEIIAQDVOT-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-7-15-9(4)13-14-11(15)10(12)8(3)6-2/h8,10H,5-7,12H2,1-4H3/t8?,10-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine?
(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 104900421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).