1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine

C7H14N6 — CID 106638235

IUPAC1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESC1CNC(CNCc2nn[nH]n2)C1
InChIInChI=1S/C7H14N6/c1-2-6(9-3-1)4-8-5-7-10-12-13-11-7/h6,8-9H,1-5H2,(H,10,11,12,13)
InChIKeyVVCMAALLDQAUGI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.96
Rot. Bonds4

About 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine

1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 106638235) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID106638235
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESC1CNC(CNCc2nn[nH]n2)C1
InChIInChI=1S/C7H14N6/c1-2-6(9-3-1)4-8-5-7-10-12-13-11-7/h6,8-9H,1-5H2,(H,10,11,12,13)
InChIKeyVVCMAALLDQAUGI-UHFFFAOYSA-N
XLogP-0.96
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238
2-(2H-tetrazol-5-ylmethyl)piperidine
CID 84652779
1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 62387046
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
2-piperidin-3-yl-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 62675815
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643444
N-(piperidin-2-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 106633822
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 71640791

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 106638235) is 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine is C1CNC(CNCc2nn[nH]n2)C1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is VVCMAALLDQAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-2-6(9-3-1)4-8-5-7-10-12-13-11-7/h6,8-9H,1-5H2,(H,10,11,12,13).
What are the key properties of 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 182.23 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 106638235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).