2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C8H15N5O — CID 106282578

IUPAC2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCNC(C)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-5(7-10-4-11-13-7)12-8(14)6(2)9-3/h4-6,9H,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyIKLYBOPZRWQYNH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.41
Rot. Bonds4

About 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 106282578) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID106282578
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCNC(C)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-5(7-10-4-11-13-7)12-8(14)6(2)9-3/h4-6,9H,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyIKLYBOPZRWQYNH-UHFFFAOYSA-N
XLogP-0.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-ynamide
CID 103846656
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]but-2-ynamide
CID 106741649
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 103827821
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130162767
1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103950239
2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 75375494

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 106282578) is 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is CNC(C)C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is IKLYBOPZRWQYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(7-10-4-11-13-7)12-8(14)6(2)9-3/h4-6,9H,1-3H3,(H,12,14)(H,10,11,13).
What are the key properties of 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106282578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).