4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C9H17N5O — CID 80545154

IUPAC4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-7(3-4-10)9(15)14(2)5-8-11-6-12-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyNOXNGYNPSAUOLM-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.25
Rot. Bonds5

About 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 80545154) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID80545154
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-7(3-4-10)9(15)14(2)5-8-11-6-12-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyNOXNGYNPSAUOLM-UHFFFAOYSA-N
XLogP-0.25
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
CID 103832073
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 80545123
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 80545154) is 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is CC(CCN)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is NOXNGYNPSAUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(3-4-10)9(15)14(2)5-8-11-6-12-13-8/h6-7H,3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 211.27 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 80545154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).