6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide

C12H23N5O — CID 65291250

IUPAC6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H23N5O/c1-9(4-3-5-10(2)13)12(18)14-7-6-11-15-8-16-17-11/h8-10H,3-7,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyKNAFEAGZGOSWBG-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.62
Rot. Bonds8

About 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide

6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide (PubChem CID 65291250) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
PubChem CID65291250
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
SMILESCC(N)CCCC(C)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H23N5O/c1-9(4-3-5-10(2)13)12(18)14-7-6-11-15-8-16-17-11/h8-10H,3-7,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyKNAFEAGZGOSWBG-UHFFFAOYSA-N
XLogP0.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 104686734
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
CID 64529554
2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546065
2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
CID 64546631
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide?
The IUPAC name of 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide (CID 65291250) is 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide is CC(N)CCCC(C)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide?
The InChIKey is KNAFEAGZGOSWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(4-3-5-10(2)13)12(18)14-7-6-11-15-8-16-17-11/h8-10H,3-7,13H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide?
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide has a molecular weight of 253.35 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide is sourced from PubChem (CID 65291250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).