N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

C12H16N6O — CID 107041521

IUPACN-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCn1nnc(COc2ccc(CNC3CC3)nc2)n1
InChIInChI=1S/C12H16N6O/c1-18-16-12(15-17-18)8-19-11-5-4-10(14-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyMFOJYYULEAUOJS-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.44
Rot. Bonds6

About N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 107041521) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID107041521
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCn1nnc(COc2ccc(CNC3CC3)nc2)n1
InChIInChI=1S/C12H16N6O/c1-18-16-12(15-17-18)8-19-11-5-4-10(14-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6,8H2,1H3
InChIKeyMFOJYYULEAUOJS-UHFFFAOYSA-N
XLogP0.44
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 107051908
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 107041521) is N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is Cn1nnc(COc2ccc(CNC3CC3)nc2)n1.
What is the InChIKey of N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MFOJYYULEAUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-16-12(15-17-18)8-19-11-5-4-10(14-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6,8H2,1H3.
What are the key properties of N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 260.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107041521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).