(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

C7H14N4 — CID 89012683

IUPAC(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCN[C@H](c1ncn[nH]1)C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)6(8-3)7-9-4-10-11-7/h4-6,8H,1-3H3,(H,9,10,11)/t6-/m0/s1
InChIKeySEUDTLPQYQBYDS-LURJTMIESA-N
MW154.22 g/mol
LogP0.72
Rot. Bonds3

About (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 89012683) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID89012683
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCN[C@H](c1ncn[nH]1)C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)6(8-3)7-9-4-10-11-7/h4-6,8H,1-3H3,(H,9,10,11)/t6-/m0/s1
InChIKeySEUDTLPQYQBYDS-LURJTMIESA-N
XLogP0.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282082
2-(1H-1,2,4-triazol-5-yl)propanal
CID 23285057
[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
CID 105230310
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
CID 106281815

Frequently Asked Questions

What is the IUPAC name of (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 89012683) is (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is CN[C@H](c1ncn[nH]1)C(C)C.
What is the InChIKey of (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is SEUDTLPQYQBYDS-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)6(8-3)7-9-4-10-11-7/h4-6,8H,1-3H3,(H,9,10,11)/t6-/m0/s1.
What are the key properties of (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 89012683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).