2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide

C10H19N5O — CID 66214641

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCNCc1cn(C(C)C(=O)NC(C)C)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)12-10(16)8(3)15-6-9(5-11-4)13-14-15/h6-8,11H,5H2,1-4H3,(H,12,16)
InChIKeyXBFHPNAVWCVYBL-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.08
Rot. Bonds5

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 66214641) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID66214641
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCNCc1cn(C(C)C(=O)NC(C)C)nn1
InChIInChI=1S/C10H19N5O/c1-7(2)12-10(16)8(3)15-6-9(5-11-4)13-14-15/h6-8,11H,5H2,1-4H3,(H,12,16)
InChIKeyXBFHPNAVWCVYBL-UHFFFAOYSA-N
XLogP0.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 124938453
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-(methylaminomethyl)triazol-1-yl]butanamide
CID 66214044
2-[1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]triazol-4-yl]acetic acid
CID 107461608
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194152
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide (CID 66214641) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide is CNCc1cn(C(C)C(=O)NC(C)C)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is XBFHPNAVWCVYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)12-10(16)8(3)15-6-9(5-11-4)13-14-15/h6-8,11H,5H2,1-4H3,(H,12,16).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 225.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 66214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).