3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide

C9H17N5O — CID 139444913

IUPAC3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cn(CCCN)nn1
InChIInChI=1S/C9H17N5O/c1-11-9(15)4-3-8-7-14(13-12-8)6-2-5-10/h7H,2-6,10H2,1H3,(H,11,15)
InChIKeyCFQCCOITZIMMJV-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.69
Rot. Bonds6

About 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide

3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide (PubChem CID 139444913) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
PubChem CID139444913
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cn(CCCN)nn1
InChIInChI=1S/C9H17N5O/c1-11-9(15)4-3-8-7-14(13-12-8)6-2-5-10/h7H,2-6,10H2,1H3,(H,11,15)
InChIKeyCFQCCOITZIMMJV-UHFFFAOYSA-N
XLogP-0.69
TPSA85.83 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 ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829
3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 106221658
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide (CID 139444913) is 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide is CNC(=O)CCc1cn(CCCN)nn1.
What is the InChIKey of 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide?
The InChIKey is CFQCCOITZIMMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-11-9(15)4-3-8-7-14(13-12-8)6-2-5-10/h7H,2-6,10H2,1H3,(H,11,15).
What are the key properties of 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide?
3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide has a molecular weight of 211.27 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 139444913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).