N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine

C9H15N7 — CID 62957038

IUPACN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
SMILESCCCn1ccnc1CNCc1nn[nH]n1
InChIInChI=1S/C9H15N7/c1-2-4-16-5-3-11-9(16)7-10-6-8-12-14-15-13-8/h3,5,10H,2,4,6-7H2,1H3,(H,12,13,14,15)
InChIKeyNDNTUCRPHQTWQV-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.10
Rot. Bonds6

About N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine

N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine (PubChem CID 62957038) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
PubChem CID62957038
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
SMILESCCCn1ccnc1CNCc1nn[nH]n1
InChIInChI=1S/C9H15N7/c1-2-4-16-5-3-11-9(16)7-10-6-8-12-14-15-13-8/h3,5,10H,2,4,6-7H2,1H3,(H,12,13,14,15)
InChIKeyNDNTUCRPHQTWQV-UHFFFAOYSA-N
XLogP0.10
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine (CID 62957038) is N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine is CCCn1ccnc1CNCc1nn[nH]n1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The InChIKey is NDNTUCRPHQTWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-2-4-16-5-3-11-9(16)7-10-6-8-12-14-15-13-8/h3,5,10H,2,4,6-7H2,1H3,(H,12,13,14,15).
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine has a molecular weight of 221.27 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 62957038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).