N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide

C9H17N5O — CID 43600692

IUPACN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCNCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H17N5O/c1-8(14-7-11-6-13-14)9(15)12-5-3-4-10-2/h6-8,10H,3-5H2,1-2H3,(H,12,15)
InChIKeyDVPBDOXVNLZKIL-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.44
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43600692) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43600692
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCNCCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C9H17N5O/c1-8(14-7-11-6-13-14)9(15)12-5-3-4-10-2/h6-8,10H,3-5H2,1-2H3,(H,12,15)
InChIKeyDVPBDOXVNLZKIL-UHFFFAOYSA-N
XLogP-0.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(Methylaminooxalyl-amino)-3-[1,2,4]triazol-1-yl-propyl]-phosphonic acid
CID 44305058
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
3,3-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029802
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
N-[3-(2-oxoazepan-1-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 53504334
1-(4-Acetyl-1,4-diazepan-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53517310
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 43600692) is N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide is CNCCCNC(=O)C(C)n1cncn1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DVPBDOXVNLZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-8(14-7-11-6-13-14)9(15)12-5-3-4-10-2/h6-8,10H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 211.27 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43600692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).