(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide

C6H11N5O — CID 130598575

IUPAC(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
SMILESCn1cc([C@H](N)CC(N)=O)nn1
InChIInChI=1S/C6H11N5O/c1-11-3-5(9-10-11)4(7)2-6(8)12/h3-4H,2,7H2,1H3,(H2,8,12)/t4-/m1/s1
InChIKeyJOHGWBZQWTZOCJ-SCSAIBSYSA-N
MW169.19 g/mol
LogP-1.31
Rot. Bonds3

About (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide

(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide (PubChem CID 130598575) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
PubChem CID130598575
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
SMILESCn1cc([C@H](N)CC(N)=O)nn1
InChIInChI=1S/C6H11N5O/c1-11-3-5(9-10-11)4(7)2-6(8)12/h3-4H,2,7H2,1H3,(H2,8,12)/t4-/m1/s1
InChIKeyJOHGWBZQWTZOCJ-SCSAIBSYSA-N
XLogP-1.31
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide (CID 130598575) is (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide is Cn1cc([C@H](N)CC(N)=O)nn1.
What is the InChIKey of (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide?
The InChIKey is JOHGWBZQWTZOCJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11-3-5(9-10-11)4(7)2-6(8)12/h3-4H,2,7H2,1H3,(H2,8,12)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide?
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide has a molecular weight of 169.19 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 130598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).