N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine

C9H13N7 — CID 79785865

IUPACN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCn1cc(-n2nnnc2CNC2CC2)cn1
InChIInChI=1S/C9H13N7/c1-15-6-8(4-11-15)16-9(12-13-14-16)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyZYHKUKVNNZJOIV-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.35
Rot. Bonds4

About N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 79785865) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID79785865
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCn1cc(-n2nnnc2CNC2CC2)cn1
InChIInChI=1S/C9H13N7/c1-15-6-8(4-11-15)16-9(12-13-14-16)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyZYHKUKVNNZJOIV-UHFFFAOYSA-N
XLogP-0.35
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine (CID 79785865) is N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine is Cn1cc(-n2nnnc2CNC2CC2)cn1.
What is the InChIKey of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ZYHKUKVNNZJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-15-6-8(4-11-15)16-9(12-13-14-16)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 219.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79785865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).