N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide

C11H17N7O — CID 125439324

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1cnc([C@H](C)NC(=O)CCCn2cnnn2)[nH]1
InChIInChI=1S/C11H17N7O/c1-8-6-12-11(14-8)9(2)15-10(19)4-3-5-18-7-13-16-17-18/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,15,19)/t9-/m0/s1
InChIKeyGVBCXRITUIGGAR-VIFPVBQESA-N
MW263.30 g/mol
LogP0.36
Rot. Bonds6

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 125439324) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID125439324
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCc1cnc([C@H](C)NC(=O)CCCn2cnnn2)[nH]1
InChIInChI=1S/C11H17N7O/c1-8-6-12-11(14-8)9(2)15-10(19)4-3-5-18-7-13-16-17-18/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,15,19)/t9-/m0/s1
InChIKeyGVBCXRITUIGGAR-VIFPVBQESA-N
XLogP0.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 125439324) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide is Cc1cnc([C@H](C)NC(=O)CCCn2cnnn2)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is GVBCXRITUIGGAR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N7O/c1-8-6-12-11(14-8)9(2)15-10(19)4-3-5-18-7-13-16-17-18/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,15,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125439324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).