N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide

C10H17N5O — CID 79278968

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H17N5O/c1-4-5-11-6-10(16)15(3)7-9-12-8(2)13-14-9/h4,11H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeySYYHMNSSHDWMGL-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.15
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79278968) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID79278968
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H17N5O/c1-4-5-11-6-10(16)15(3)7-9-12-8(2)13-14-9/h4,11H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeySYYHMNSSHDWMGL-UHFFFAOYSA-N
XLogP-0.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide (CID 79278968) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is SYYHMNSSHDWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-4-5-11-6-10(16)15(3)7-9-12-8(2)13-14-9/h4,11H,1,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).